#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky4 s LYS 2 N 0.00 2.78 -0.37 0.03 2.20 -1.26 -4.97 119.74 118.15 2ky4 s LYS 2 Ca 0.00 -0.17 -0.20 0.00 -0.36 0.00 0.00 55.97 55.24 2ky4 s LYS 2 Cb 0.00 -4.86 0.00 0.00 -1.51 0.00 0.00 37.83 31.47 2ky4 s LYS 2 CO 0.00 -2.93 0.62 0.14 -0.36 0.00 0.00 175.35 172.82 2ky4 s VAL 3 N 8.71 4.90 -0.61 4.02 -7.23 -1.26 -5.03 120.40 123.90 2ky4 s VAL 3 Ca 0.63 0.49 -0.28 0.00 -1.81 0.00 0.00 61.98 61.02 2ky4 s VAL 3 Cb -0.07 -4.08 0.03 0.00 0.56 0.00 0.00 36.38 32.82 2ky4 s VAL 3 CO 0.05 -0.34 1.19 -0.36 -0.31 0.00 0.00 175.10 175.34 2ky4 s PHE 4 N 2.68 2.56 0.22 2.82 0.08 -1.26 -4.98 117.98 120.10 2ky4 s PHE 4 Ca 0.23 0.30 -0.10 0.00 0.12 0.00 0.00 56.93 57.48 2ky4 s PHE 4 Cb -0.15 -4.51 -0.01 0.00 -0.57 0.00 0.00 43.02 37.78 2ky4 s PHE 4 CO 0.15 -1.66 0.38 -1.59 -0.10 0.00 0.00 175.22 172.40 2ky4 s LYS 5 N 5.03 1.39 -0.29 0.44 -2.85 -1.26 -1.60 119.74 120.60 2ky4 s LYS 5 Ca 0.41 -1.27 0.03 0.00 -1.00 0.00 0.00 55.97 54.13 2ky4 s LYS 5 Cb -0.08 0.42 0.07 0.00 -2.06 0.00 0.00 37.83 36.18 2ky4 s LYS 5 CO 0.23 -0.55 -0.04 0.50 0.10 0.00 0.00 175.35 175.59 2ky4 s ARG 6 N -4.02 2.01 0.00 1.78 3.52 -0.65 -5.01 118.95 116.59 2ky4 s ARG 6 Ca 0.23 -1.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.31 2ky4 s ARG 6 Cb 0.01 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 2ky4 s ARG 6 CO 0.07 -0.70 0.00 0.28 -0.81 0.00 0.00 175.30 174.13 2ky4 n VAL 7 N 4.39 0.00 0.00 7.11 0.31 -1.26 -4.86 118.33 124.02 2ky4 n VAL 7 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2ky4 n VAL 7 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 2ky4 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ky4 n ALA 8 N -3.00 0.00 -0.44 3.52 0.00 -1.26 -4.31 120.51 115.02 2ky4 n ALA 8 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 2ky4 n ALA 8 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 2ky4 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky4 n GLY 9 N 2.56 -0.61 3.58 0.00 0.00 -1.26 -4.51 105.19 104.95 2ky4 n GLY 9 Ca 0.00 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 2ky4 n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ky4 s ILE 10 N -4.16 3.25 0.00 -0.61 1.01 -1.26 -4.66 121.20 114.77 2ky4 s ILE 10 Ca -0.03 0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.87 2ky4 s ILE 10 Cb 0.17 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 39.25 2ky4 s ILE 10 CO 0.55 -0.34 0.81 0.29 0.00 0.00 0.00 174.94 176.25 2ky4 n LYS 11 N 8.77 0.00 -3.89 2.79 5.02 -1.26 -4.78 118.16 124.81 2ky4 n LYS 11 Ca 0.27 -0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 55.52 2ky4 n LYS 11 Cb 0.49 0.12 -0.05 0.00 -0.02 0.00 0.00 35.03 35.56 2ky4 n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ky4 s ASP 12 N -0.69 6.38 0.19 4.39 1.11 -1.26 -4.92 116.67 121.87 2ky4 s ASP 12 Ca 0.04 0.41 -0.08 0.00 0.18 0.00 0.00 52.55 53.10 2ky4 s ASP 12 Cb 0.04 -2.04 0.10 0.00 1.07 0.00 0.00 42.92 42.09 2ky4 s ASP 12 CO -0.02 0.34 1.62 0.50 1.18 0.00 0.00 175.17 178.80 2ky4 h LYS 13 N 4.46 0.98 -0.08 8.23 1.63 -1.98 -0.34 116.57 129.46 2ky4 h LYS 13 Ca -0.52 -0.35 0.02 0.00 -0.85 0.00 0.00 60.65 58.95 2ky4 h LYS 13 Cb 1.21 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2ky4 h LYS 13 CO 0.63 1.02 0.07 0.00 -3.45 0.00 0.00 179.45 177.72 2ky4 h ALA 14 N 1.00 1.94 0.04 5.00 0.00 -2.00 -0.15 119.26 125.10 2ky4 h ALA 14 Ca 0.14 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 2ky4 h ALA 14 Cb 0.66 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ky4 h ALA 14 CO 0.05 -0.11 -1.09 0.00 0.00 0.00 0.00 179.25 178.09 2ky4 h ALA 15 N 1.94 0.13 0.24 0.00 0.00 -1.78 -3.32 119.26 116.47 2ky4 h ALA 15 Ca 0.04 -0.73 -0.34 0.00 0.00 0.00 0.00 54.91 53.88 2ky4 h ALA 15 Cb 0.18 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.05 2ky4 h ALA 15 CO -0.00 0.72 -1.53 0.82 0.00 0.00 0.00 179.25 179.26 2ky4 h ILE 16 N 0.32 1.22 0.02 0.00 1.08 -0.32 -3.17 117.51 116.65 2ky4 h ILE 16 Ca -0.14 -2.68 -0.00 0.00 -0.39 0.00 0.00 64.86 61.65 2ky4 h ILE 16 Cb 1.75 2.98 0.00 0.00 -3.07 0.00 0.00 36.82 38.48 2ky4 h ILE 16 CO 0.21 0.83 -0.01 0.11 -0.69 0.00 0.00 178.15 178.59 2ky4 h LYS 17 N 0.14 -0.03 -0.17 2.37 1.57 -1.24 -0.93 116.57 118.27 2ky4 h LYS 17 Ca -0.27 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2ky4 h LYS 17 Cb 2.15 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.46 2ky4 h LYS 17 CO 0.25 0.65 0.58 1.15 -0.57 0.00 0.00 179.45 181.51 2ky4 h THR 18 N -0.76 0.07 0.17 -0.16 2.02 -1.77 0.64 112.91 113.12 2ky4 h THR 18 Ca -0.00 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.93 2ky4 h THR 18 Cb 0.69 0.46 0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2ky4 h THR 18 CO 0.01 0.00 -1.15 0.25 0.37 0.00 0.00 175.52 175.00 2ky4 h LEU 19 N 0.00 0.56 -0.01 2.58 6.46 -1.41 -3.36 115.31 120.12 2ky4 h LEU 19 Ca 0.08 -0.93 -0.05 0.00 -0.12 0.00 0.00 57.88 56.87 2ky4 h LEU 19 Cb 1.24 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2ky4 h LEU 19 CO -0.00 1.54 -0.17 0.40 -0.62 0.00 0.00 178.44 179.59 2ky4 h ILE 20 N -0.20 1.55 -0.54 4.05 2.04 0.47 -1.80 117.51 123.07 2ky4 h ILE 20 Ca -0.21 -1.85 -0.10 0.00 1.00 0.00 0.00 64.86 63.69 2ky4 h ILE 20 Cb 1.83 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 40.61 2ky4 h ILE 20 CO 0.17 0.50 -0.07 0.28 0.00 0.00 0.00 178.15 179.03 2ky4 h SER 21 N -0.55 0.98 -0.58 1.72 0.02 -1.52 -1.21 113.55 112.41 2ky4 h SER 21 Ca -0.02 -0.30 0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2ky4 h SER 21 Cb 0.91 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2ky4 h SER 21 CO 0.03 1.07 0.48 0.00 -1.14 0.00 0.00 176.83 177.28 2ky4 h ALA 22 N 1.02 2.44 0.09 3.77 0.00 -1.72 -0.43 119.26 124.43 2ky4 h ALA 22 Ca 0.15 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 2ky4 h ALA 22 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ky4 h ALA 22 CO 0.04 -0.78 -1.44 0.00 0.00 0.00 0.00 179.25 177.07 2ky4 h ALA 23 N 1.58 0.31 0.14 0.00 0.00 -0.34 -3.33 119.26 117.62 2ky4 h ALA 23 Ca 0.28 -1.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2ky4 h ALA 23 Cb 1.24 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2ky4 h ALA 23 CO -0.00 1.17 -0.07 1.88 0.00 0.00 0.00 179.25 182.23 2ky4 h TYR 24 N 0.05 -0.17 0.00 0.00 0.05 -0.35 -1.39 116.97 115.16 2ky4 h TYR 24 Ca -0.20 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2ky4 h TYR 24 Cb 1.98 0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.77 2ky4 h TYR 24 CO 0.05 0.23 0.55 0.00 -1.05 0.00 0.00 178.16 177.94 2ky4 h ARG 25 N -0.64 0.00 0.00 4.88 2.47 -1.27 0.39 114.38 120.21 2ky4 h ARG 25 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2ky4 h ARG 25 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2ky4 h ARG 25 CO 0.03 0.00 -0.33 0.37 0.56 0.00 0.00 179.97 180.60 2ky4 h GLN 26 N 0.00 0.00 0.04 0.04 -0.00 -1.60 -3.39 115.11 110.20 2ky4 h GLN 26 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2ky4 h GLN 26 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.58 2ky4 h GLN 26 CO 0.00 0.00 -0.02 0.82 0.00 0.00 0.00 178.83 179.63 2ky4 h ILE 27 N -0.88 0.00 0.00 2.39 2.04 -0.01 -3.35 117.51 117.70 2ky4 h ILE 27 Ca 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2ky4 h ILE 27 Cb 0.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2ky4 h ILE 27 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 2ky4 n PHE 28 N -3.30 0.00 0.00 1.37 3.01 0.11 -4.94 117.46 113.72 2ky4 n PHE 28 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2ky4 n PHE 28 Cb 0.02 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 2ky4 n PHE 28 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2ky4 n GLU 29 N -1.48 0.00 -2.57 -1.08 0.00 0.14 -4.94 120.64 110.70 2ky4 n GLU 29 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.91 2ky4 n GLU 29 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.67 2ky4 n GLU 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2ky4 s ARG 30 N 0.00 3.75 0.00 5.31 1.70 -1.26 -4.20 118.95 124.26 2ky4 s ARG 30 Ca 0.00 0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 55.54 2ky4 s ARG 30 Cb 0.00 -2.29 -0.08 0.00 -0.57 0.00 0.00 34.95 32.02 2ky4 s ARG 30 CO 0.00 -0.19 1.85 -0.51 -1.08 0.00 0.00 175.30 175.36 2ky4 s ASP 31 N -3.44 6.53 -0.23 -2.89 1.01 -1.26 -4.13 116.67 112.26 2ky4 s ASP 31 Ca 0.53 2.50 -0.05 0.00 0.71 0.00 0.00 52.55 56.24 2ky4 s ASP 31 Cb -0.10 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2ky4 s ASP 31 CO 0.37 -1.00 0.00 -0.63 0.21 0.00 0.00 175.17 174.11 2ky4 s ILE 32 N 4.29 3.74 0.24 0.77 1.01 -1.26 -5.09 121.20 124.91 2ky4 s ILE 32 Ca 0.83 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 2ky4 s ILE 32 Cb -0.39 -2.72 -0.13 0.00 0.01 0.00 0.00 42.46 39.23 2ky4 s ILE 32 CO 0.37 0.39 1.47 0.00 0.00 0.00 0.00 174.94 177.17 2ky4 n ALA 33 N 4.82 1.42 -0.18 9.38 0.00 -1.26 -4.70 120.51 129.98 2ky4 n ALA 33 Ca -0.17 0.41 0.26 0.00 0.00 0.00 0.00 53.44 53.94 2ky4 n ALA 33 Cb 0.51 -2.32 0.68 0.00 0.00 0.00 0.00 19.45 18.32 2ky4 n ALA 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2ky4 h PRO 34 N 4.60 0.08 -0.00 0.00 0.11 -1.99 0.57 132.00 135.36 2ky4 h PRO 34 Ca -0.45 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 2ky4 h PRO 34 Cb 1.26 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.37 2ky4 h PRO 34 CO 0.78 0.05 -1.02 0.10 -0.21 0.00 0.00 178.00 177.70 2ky4 h TYR 35 N 0.08 0.96 -0.18 0.65 -0.00 -1.99 -2.83 116.97 113.65 2ky4 h TYR 35 Ca 0.43 -0.52 -0.01 0.00 -0.00 0.00 0.00 58.73 58.63 2ky4 h TYR 35 Cb 1.58 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 38.19 2ky4 h TYR 35 CO -0.00 1.35 0.06 0.82 -0.00 0.00 0.00 178.16 180.40 2ky4 h ILE 36 N 0.36 1.17 -0.68 -0.90 2.04 -1.29 -2.30 117.51 115.92 2ky4 h ILE 36 Ca -0.12 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.30 2ky4 h ILE 36 Cb 1.67 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 2ky4 h ILE 36 CO 0.20 0.16 0.36 0.00 0.00 0.00 0.00 178.15 178.87 2ky4 h ALA 37 N 0.90 0.91 0.00 1.87 0.00 -1.34 -1.19 119.26 120.41 2ky4 h ALA 37 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2ky4 h ALA 37 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ky4 h ALA 37 CO -0.00 0.02 -0.39 -0.56 0.00 0.00 0.00 179.25 178.32 2ky4 h GLN 38 N 0.66 0.00 0.05 0.00 3.07 -1.46 -2.01 115.11 115.42 2ky4 h GLN 38 Ca 0.31 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.97 2ky4 h GLN 38 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.80 2ky4 h GLN 38 CO -0.20 0.39 -0.34 -0.91 0.09 0.00 0.00 178.83 177.85 2ky4 h ASN 39 N 0.00 0.21 0.09 0.06 2.35 -1.01 -3.04 115.58 114.24 2ky4 h ASN 39 Ca -0.00 -0.95 -0.00 0.00 -0.55 0.00 0.00 56.30 54.80 2ky4 h ASN 39 Cb 1.07 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2ky4 h ASN 39 CO 0.05 1.14 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.60 2ky4 h GLU 40 N -0.68 -0.11 -1.73 0.81 4.39 -1.30 -3.29 114.58 112.67 2ky4 h GLU 40 Ca -0.06 0.01 -0.72 0.00 0.34 0.00 0.00 59.36 58.93 2ky4 h GLU 40 Cb 1.24 0.03 -0.30 0.00 -0.10 0.00 0.00 28.75 29.61 2ky4 h GLU 40 CO 0.07 0.19 0.66 1.19 -1.16 0.00 0.00 179.01 179.96 2ky4 n PHE 41 N -5.00 3.08 0.08 4.33 3.72 -0.75 -4.81 117.46 118.12 2ky4 n PHE 41 Ca -0.08 -2.56 -0.13 0.00 -0.05 0.00 0.00 57.45 54.63 2ky4 n PHE 41 Cb 0.19 -1.00 -0.08 0.00 -0.94 0.00 0.00 39.48 37.65 2ky4 n PHE 41 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2ky4 h SER 42 N 2.76 -0.16 0.63 4.37 0.87 -1.60 -0.66 113.55 119.76 2ky4 h SER 42 Ca 0.52 -0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.72 2ky4 h SER 42 Cb 0.34 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2ky4 h SER 42 CO 1.33 0.11 -0.76 1.23 -0.53 0.00 0.00 176.83 178.21 2ky4 h GLY 43 N -0.44 0.11 0.39 5.77 0.00 -1.87 -3.10 103.07 103.92 2ky4 h GLY 43 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2ky4 h GLY 43 CO 0.03 0.15 -0.02 -0.25 0.00 0.00 0.00 176.54 176.46 2ky4 h TRP 44 N 0.06 -0.05 -1.00 5.60 -0.00 -1.90 -1.43 115.95 117.24 2ky4 h TRP 44 Ca -0.02 -0.00 0.22 0.00 -0.00 0.00 0.00 58.89 59.09 2ky4 h TRP 44 Cb 1.34 0.02 -0.10 0.00 -0.00 0.00 0.00 29.16 30.42 2ky4 h TRP 44 CO 0.01 0.52 0.63 1.49 -0.00 0.00 0.00 178.44 181.09 2ky4 h GLU 45 N -0.66 0.55 -0.36 2.65 4.81 -1.27 -2.01 114.58 118.28 2ky4 h GLU 45 Ca -0.01 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2ky4 h GLU 45 Cb 0.59 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2ky4 h GLU 45 CO 0.01 0.36 -0.11 0.77 -0.73 0.00 0.00 179.01 179.31 2ky4 h SER 46 N 0.56 0.60 -0.52 1.04 0.02 -1.42 -1.51 113.55 112.32 2ky4 h SER 46 Ca 0.57 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 2ky4 h SER 46 Cb 1.18 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2ky4 h SER 46 CO -0.33 0.74 0.09 0.11 -1.14 0.00 0.00 176.83 176.31 2ky4 h LYS 47 N 0.57 0.86 0.03 3.45 1.79 -0.53 -1.54 116.57 121.21 2ky4 h LYS 47 Ca 0.10 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2ky4 h LYS 47 Cb 0.52 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2ky4 h LYS 47 CO 0.03 0.84 -0.02 1.25 -1.08 0.00 0.00 179.45 180.48 2ky4 h LEU 48 N 0.75 -0.04 -0.40 2.94 5.85 -1.43 0.13 115.31 123.11 2ky4 h LEU 48 Ca 0.16 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.46 2ky4 h LEU 48 Cb 0.39 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2ky4 h LEU 48 CO 0.01 0.49 -0.17 1.23 -0.34 0.00 0.00 178.44 179.66 2ky4 h GLY 49 N -0.58 0.14 0.98 3.75 0.00 -1.32 -1.70 103.07 104.34 2ky4 h GLY 49 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2ky4 h GLY 49 CO 0.01 -0.19 0.00 0.70 0.00 0.00 0.00 176.54 177.06 2ky4 n ASN 50 N -5.36 0.00 -1.86 0.19 4.13 -0.58 -4.77 115.26 107.01 2ky4 n ASN 50 Ca 0.02 -0.67 -0.19 0.00 1.68 0.00 0.00 54.58 55.43 2ky4 n ASN 50 Cb 0.27 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.48 2ky4 n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ky4 n GLY 51 N 0.31 0.42 0.18 7.41 0.00 -0.64 -4.91 105.19 107.97 2ky4 n GLY 51 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2ky4 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ky4 h GLU 52 N 0.00 0.00 -4.98 1.61 4.39 -0.97 -3.45 114.58 111.17 2ky4 h GLU 52 Ca -0.42 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 58.96 2ky4 h GLU 52 Cb 1.28 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.76 2ky4 h GLU 52 CO 0.53 0.38 -0.73 0.96 -1.16 0.00 0.00 179.01 179.00 2ky4 s ILE 53 N -4.17 0.99 0.71 3.13 -4.36 -1.08 -5.03 121.20 111.39 2ky4 s ILE 53 Ca -0.03 -1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 58.51 2ky4 s ILE 53 Cb 0.14 -1.50 0.04 0.00 1.25 0.00 0.00 42.46 42.39 2ky4 s ILE 53 CO 0.73 -0.62 1.07 0.28 0.24 0.00 0.00 174.94 176.64 2ky4 s THR 54 N -2.71 2.94 0.27 8.37 -1.32 -1.26 -4.64 115.64 117.29 2ky4 s THR 54 Ca 0.09 0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.68 2ky4 s THR 54 Cb -0.01 -3.27 0.21 0.00 -1.51 0.00 0.00 72.50 67.91 2ky4 s THR 54 CO -0.00 -0.33 1.88 0.58 -2.21 0.00 0.00 174.62 174.54 2ky4 h VAL 55 N -0.66 1.23 0.59 5.08 2.07 -1.87 -1.64 116.25 121.05 2ky4 h VAL 55 Ca -0.45 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2ky4 h VAL 55 Cb 1.28 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2ky4 h VAL 55 CO 0.63 0.26 -0.45 0.50 0.02 0.00 0.00 177.57 178.54 2ky4 h LYS 56 N 1.05 -0.97 -1.00 1.57 3.11 -1.07 0.19 116.57 119.45 2ky4 h LYS 56 Ca 0.26 0.07 0.25 0.00 -2.81 0.00 0.00 60.65 58.42 2ky4 h LYS 56 Cb 0.07 0.22 -0.07 0.00 -1.00 0.00 0.00 32.23 31.45 2ky4 h LYS 56 CO -0.04 -0.65 0.66 1.49 -2.81 0.00 0.00 179.45 178.11 2ky4 h GLU 57 N -1.01 0.31 -0.23 1.90 4.81 -1.82 -0.09 114.58 118.45 2ky4 h GLU 57 Ca -0.07 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 2ky4 h GLU 57 Cb 0.85 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2ky4 h GLU 57 CO 0.02 0.20 -0.57 0.35 -0.73 0.00 0.00 179.01 178.28 2ky4 h PHE 58 N 0.32 0.90 0.01 0.92 3.57 -0.66 -2.02 116.94 119.97 2ky4 h PHE 58 Ca 0.53 -0.33 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2ky4 h PHE 58 Cb 1.50 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2ky4 h PHE 58 CO -0.00 1.11 -0.00 0.82 -2.23 0.00 0.00 178.31 178.00 2ky4 h ILE 59 N 0.54 1.50 -0.93 1.41 1.08 0.95 0.12 117.51 122.18 2ky4 h ILE 59 Ca 0.01 -1.55 0.18 0.00 -0.39 0.00 0.00 64.86 63.11 2ky4 h ILE 59 Cb 1.15 2.54 -0.11 0.00 -3.07 0.00 0.00 36.82 37.34 2ky4 h ILE 59 CO 0.12 0.40 0.51 -0.08 -0.69 0.00 0.00 178.15 178.40 2ky4 h GLU 60 N -0.68 0.63 -0.96 2.37 4.81 -1.25 -0.93 114.58 118.57 2ky4 h GLU 60 Ca -0.00 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.32 2ky4 h GLU 60 Cb 0.66 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 2ky4 h GLU 60 CO 0.00 0.42 0.61 0.78 -0.73 0.00 0.00 179.01 180.09 2ky4 h GLY 61 N 0.65 1.48 1.53 1.92 0.00 -0.98 -2.14 103.07 105.54 2ky4 h GLY 61 Ca 0.53 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 47.24 2ky4 h GLY 61 CO -0.40 0.12 -1.05 1.41 0.00 0.00 0.00 176.54 176.62 2ky4 h LEU 62 N 0.87 0.54 -2.58 3.11 3.38 -0.02 -3.30 115.31 117.30 2ky4 h LEU 62 Ca 0.48 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ky4 h LEU 62 Cb 0.60 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2ky4 h LEU 62 CO -0.25 1.30 -0.02 1.23 0.09 0.00 0.00 178.44 180.80 2ky4 h GLY 63 N 1.22 0.00 1.68 0.83 0.00 -0.54 -1.84 103.07 104.41 2ky4 h GLY 63 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 2ky4 h GLY 63 CO 0.18 0.00 -1.01 -0.97 0.00 0.00 0.00 176.54 174.74 2ky4 h TYR 64 N 0.00 0.43 -2.22 5.60 -1.99 -1.57 -3.45 116.97 113.78 2ky4 h TYR 64 Ca -0.00 -0.26 -0.62 0.00 2.00 0.00 0.00 58.73 59.85 2ky4 h TYR 64 Cb 0.10 -0.04 0.11 0.00 2.00 0.00 0.00 36.73 38.90 2ky4 h TYR 64 CO 0.00 1.12 -0.03 0.45 -0.00 0.00 0.00 178.16 179.71 2ky4 n SER 65 N -3.63 0.69 0.23 3.88 2.88 -0.69 -4.82 113.62 112.16 2ky4 n SER 65 Ca -0.06 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.69 2ky4 n SER 65 Cb 0.89 -1.22 0.56 0.00 -0.75 0.00 0.00 64.21 63.69 2ky4 n SER 65 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2ky4 h ASN 66 N 1.70 0.01 0.74 -3.46 -0.00 -1.93 -1.01 115.58 111.64 2ky4 h ASN 66 Ca -0.38 -0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 55.88 2ky4 h ASN 66 Cb 1.36 -0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.67 2ky4 h ASN 66 CO 0.59 0.11 -0.20 0.25 -0.00 0.00 0.00 177.43 178.18 2ky4 h LEU 67 N 0.01 0.00 -0.13 0.34 5.85 -1.93 -1.42 115.31 118.03 2ky4 h LEU 67 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2ky4 h LEU 67 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2ky4 h LEU 67 CO 0.01 0.20 -1.00 0.22 -0.34 0.00 0.00 178.44 177.54 2ky4 h TYR 68 N 0.00 0.51 0.05 1.25 3.20 -1.48 -3.22 116.97 117.27 2ky4 h TYR 68 Ca -0.00 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 2ky4 h TYR 68 Cb 0.63 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2ky4 h TYR 68 CO 0.00 1.14 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.57 2ky4 h LEU 69 N 0.16 -0.06 0.46 2.82 -0.00 -1.13 -2.81 115.31 114.76 2ky4 h LEU 69 Ca -0.08 -0.55 -0.02 0.00 -0.00 0.00 0.00 57.88 57.23 2ky4 h LEU 69 Cb 1.65 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.33 2ky4 h LEU 69 CO 0.17 0.55 -0.22 0.07 -0.00 0.00 0.00 178.44 179.01 2ky4 h LYS 70 N -0.70 -0.59 -0.23 1.13 2.10 -1.46 0.17 116.57 116.98 2ky4 h LYS 70 Ca -0.01 0.04 0.07 0.00 -2.00 0.00 0.00 60.65 58.75 2ky4 h LYS 70 Cb 0.60 0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 2ky4 h LYS 70 CO 0.01 -0.31 0.47 0.93 -2.00 0.00 0.00 179.45 178.56 2ky4 h GLU 71 N -0.82 0.00 0.00 0.07 4.39 -1.70 -3.33 114.58 113.19 2ky4 h GLU 71 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2ky4 h GLU 71 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2ky4 h GLU 71 CO 0.10 0.00 -0.12 1.19 -1.16 0.00 0.00 179.01 179.02 2ky4 n PHE 72 N -3.22 0.00 -0.06 4.33 3.72 -1.06 -4.95 117.46 116.22 2ky4 n PHE 72 Ca 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.36 2ky4 n PHE 72 Cb 0.59 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 2ky4 n PHE 72 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2ky4 n TYR 73 N -0.19 0.00 -0.04 1.38 9.36 0.47 -4.51 117.16 123.63 2ky4 n TYR 73 Ca 0.00 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.08 2ky4 n TYR 73 Cb 0.00 -0.46 -0.09 0.00 -0.63 0.00 0.00 39.34 38.17 2ky4 n TYR 73 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2ky4 h THR 74 N 0.00 1.40 0.00 2.97 2.02 -1.33 -3.29 112.91 114.67 2ky4 h THR 74 Ca -0.26 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2ky4 h THR 74 Cb 1.45 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 2ky4 h THR 74 CO -0.03 0.42 -0.31 1.55 0.37 0.00 0.00 175.52 177.53 2ky4 h PRO 75 N -0.17 0.00 -6.06 6.66 0.14 -1.87 -3.47 132.00 127.23 2ky4 h PRO 75 Ca 0.00 0.00 -0.68 0.00 0.14 0.00 0.00 66.00 65.46 2ky4 h PRO 75 Cb 0.78 0.00 -0.17 0.00 0.14 0.00 0.00 31.00 31.75 2ky4 h PRO 75 CO 0.04 0.00 -0.66 0.71 0.14 0.00 0.00 178.00 178.24 2ky4 s TYR 76 N -3.14 3.05 0.63 1.56 2.02 -1.24 -5.12 117.35 115.12 2ky4 s TYR 76 Ca 0.08 0.11 -0.17 0.00 -0.37 0.00 0.00 57.07 56.72 2ky4 s TYR 76 Cb 0.13 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2ky4 s TYR 76 CO 0.66 0.41 1.18 -1.25 -1.57 0.00 0.00 175.55 174.97 2ky4 s PRO 77 N -0.88 2.79 0.57 -1.71 0.04 -1.26 -4.73 135.00 129.81 2ky4 s PRO 77 Ca 0.13 1.70 0.37 0.00 0.04 0.00 0.00 61.00 63.24 2ky4 s PRO 77 Cb -0.11 -1.92 1.47 0.00 0.04 0.00 0.00 34.50 33.98 2ky4 s PRO 77 CO 0.02 -1.32 1.68 -0.91 0.04 0.00 0.00 177.00 176.52 2ky4 h ASN 78 N 0.49 0.00 0.25 6.66 4.21 -1.96 0.20 115.58 125.42 2ky4 h ASN 78 Ca -0.49 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.01 2ky4 h ASN 78 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2ky4 h ASN 78 CO 0.54 0.00 -0.12 0.74 -1.29 0.00 0.00 177.43 177.30 2ky4 h THR 79 N 0.00 0.78 0.00 2.81 2.02 -1.95 -2.79 112.91 113.78 2ky4 h THR 79 Ca 0.57 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.49 2ky4 h THR 79 Cb 2.52 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 2ky4 h THR 79 CO -0.01 0.04 -0.48 0.50 0.37 0.00 0.00 175.52 175.94 2ky4 h LYS 80 N -0.42 0.00 0.00 6.66 1.63 -1.06 -3.18 116.57 120.20 2ky4 h LYS 80 Ca -0.03 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2ky4 h LYS 80 Cb 0.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2ky4 h LYS 80 CO 0.06 0.48 -0.16 0.28 -3.45 0.00 0.00 179.45 176.65 2ky4 h VAL 81 N 0.00 0.63 0.00 2.00 2.07 -0.94 -0.99 116.25 119.03 2ky4 h VAL 81 Ca -0.00 -0.69 -0.18 0.00 0.82 0.00 0.00 66.70 66.64 2ky4 h VAL 81 Cb 1.06 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2ky4 h VAL 81 CO 0.06 0.15 -0.88 0.40 0.02 0.00 0.00 177.57 177.32 2ky4 h ILE 82 N 0.00 1.44 0.03 4.57 2.04 -1.50 -2.82 117.51 121.27 2ky4 h ILE 82 Ca -0.00 -3.05 -0.00 0.00 1.00 0.00 0.00 64.86 62.81 2ky4 h ILE 82 Cb 0.43 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2ky4 h ILE 82 CO 0.02 0.82 -0.01 -0.08 0.00 0.00 0.00 178.15 178.89 2ky4 h GLU 83 N 0.00 -0.04 0.00 2.37 4.22 -1.24 -2.69 114.58 117.19 2ky4 h GLU 83 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2ky4 h GLU 83 Cb 1.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2ky4 h GLU 83 CO 0.11 0.65 0.00 -0.07 -2.18 0.00 0.00 179.01 177.52 2ky4 h LEU 84 N -0.88 0.00 0.00 1.64 3.38 -1.45 -3.41 115.31 114.60 2ky4 h LEU 84 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2ky4 h LEU 84 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2ky4 h LEU 84 CO 0.01 0.00 -0.29 1.23 0.09 0.00 0.00 178.44 179.48 2ky4 h GLY 85 N 3.49 0.01 2.00 0.83 0.00 -1.25 -3.28 103.07 104.86 2ky4 h GLY 85 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2ky4 h GLY 85 CO 0.00 0.03 0.00 -0.84 0.00 0.00 0.00 176.54 175.73 2ky4 h THR 86 N -0.98 0.00 -0.29 4.70 2.02 -1.70 -3.33 112.91 113.33 2ky4 h THR 86 Ca -0.08 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 2ky4 h THR 86 Cb 1.09 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2ky4 h THR 86 CO -0.04 0.00 0.07 0.11 0.37 0.00 0.00 175.52 176.03 2ky4 h LYS 87 N 0.00 0.41 -0.46 6.66 1.57 -1.74 -0.56 116.57 122.46 2ky4 h LYS 87 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2ky4 h LYS 87 Cb 0.64 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2ky4 h LYS 87 CO 0.00 0.39 0.00 0.72 -0.57 0.00 0.00 179.45 179.99 2ky4 n HIS 88 N -4.38 0.53 0.13 -1.35 8.25 -1.25 -2.94 115.22 114.21 2ky4 n HIS 88 Ca 0.01 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2ky4 n HIS 88 Cb 0.17 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2ky4 n HIS 88 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2ky4 n PHE 89 N 0.33 -2.21 -3.79 4.41 3.72 -0.73 -4.77 117.46 114.43 2ky4 n PHE 89 Ca 0.10 0.39 -0.30 0.00 -0.05 0.00 0.00 57.45 57.59 2ky4 n PHE 89 Cb 0.37 0.55 -0.13 0.00 -0.94 0.00 0.00 39.48 39.32 2ky4 n PHE 89 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2ky4 s LEU 90 N -6.78 3.15 -0.94 4.37 2.34 -0.30 -4.79 118.68 115.74 2ky4 s LEU 90 Ca 0.00 -2.63 -0.25 0.00 0.06 0.00 0.00 54.13 51.31 2ky4 s LEU 90 Cb 0.00 -1.20 -0.10 0.00 -0.56 0.00 0.00 46.19 44.33 2ky4 s LEU 90 CO 0.00 -0.27 2.11 -0.83 -1.06 0.00 0.00 176.35 176.29 2ky4 s GLY 91 N 0.31 -0.30 0.00 -3.48 0.00 -1.15 -4.26 107.32 98.45 2ky4 s GLY 91 Ca 0.17 -1.39 0.10 0.00 0.00 0.00 0.00 44.72 43.59 2ky4 s GLY 91 CO -0.02 3.83 1.02 -0.96 0.00 0.00 0.00 173.10 176.97 2ky4 n ARG 92 N 8.67 0.00 -0.95 2.90 1.85 -1.26 -4.62 116.66 123.25 2ky4 n ARG 92 Ca 0.43 -1.28 0.11 0.00 -1.00 0.00 0.00 57.85 56.11 2ky4 n ARG 92 Cb 0.46 -0.19 -0.03 0.00 -1.05 0.00 0.00 32.46 31.64 2ky4 n ARG 92 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ky4 n ALA 93 N 0.19 -3.02 -1.92 2.89 0.00 -1.26 -4.75 120.51 112.64 2ky4 n ALA 93 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 2ky4 n ALA 93 Cb 0.85 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 2ky4 n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ky4 s PRO 94 N -2.49 4.51 0.05 0.00 0.04 -1.26 -4.89 135.00 130.96 2ky4 s PRO 94 Ca 0.00 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 62.62 2ky4 s PRO 94 Cb 0.00 -3.20 -0.18 0.00 0.04 0.00 0.00 34.50 31.16 2ky4 s PRO 94 CO 0.00 -0.02 1.49 0.82 0.04 0.00 0.00 177.00 179.33 2ky4 h ILE 95 N 3.45 0.00 -3.64 0.56 5.03 -1.95 -3.47 117.51 117.49 2ky4 h ILE 95 Ca -0.46 0.00 -0.09 0.00 -0.12 0.00 0.00 64.86 64.19 2ky4 h ILE 95 Cb 1.21 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.85 2ky4 h ILE 95 CO 0.71 0.00 -0.34 -0.62 -0.68 0.00 0.00 178.15 177.22 2ky4 s ASP 96 N -3.72 0.04 0.02 1.72 2.15 -1.26 -5.04 116.67 110.58 2ky4 s ASP 96 Ca -0.17 -0.49 0.06 0.00 0.43 0.00 0.00 52.55 52.38 2ky4 s ASP 96 Cb 0.02 0.34 0.27 0.00 -0.30 0.00 0.00 42.92 43.24 2ky4 s ASP 96 CO 0.52 -0.67 1.19 1.67 -0.17 0.00 0.00 175.17 177.70 2ky4 n GLN 97 N 0.23 0.01 0.01 4.34 -0.06 -1.26 -0.55 117.38 120.10 2ky4 n GLN 97 Ca -0.17 0.43 -0.22 0.00 -2.00 0.00 0.00 57.00 55.04 2ky4 n GLN 97 Cb 0.61 -1.53 -0.14 0.00 -4.06 0.00 0.00 30.24 25.12 2ky4 n GLN 97 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ky4 h ALA 98 N 2.16 0.28 -0.18 1.69 0.00 -1.99 -2.75 119.26 118.47 2ky4 h ALA 98 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 54.91 53.63 2ky4 h ALA 98 Cb 0.08 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ky4 h ALA 98 CO 0.00 1.05 -0.11 1.49 0.00 0.00 0.00 179.25 181.68 2ky4 h GLU 99 N -0.13 0.29 0.32 0.00 4.22 -1.74 -1.79 114.58 115.75 2ky4 h GLU 99 Ca -0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 58.99 2ky4 h GLU 99 Cb 1.90 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2ky4 h GLU 99 CO 0.07 0.41 -0.16 0.82 -2.18 0.00 0.00 179.01 177.97 2ky4 h ILE 100 N 0.27 0.68 -1.18 2.32 2.04 -0.91 -2.78 117.51 117.95 2ky4 h ILE 100 Ca 0.06 -0.51 0.34 0.00 1.00 0.00 0.00 64.86 65.74 2ky4 h ILE 100 Cb 0.37 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 2ky4 h ILE 100 CO 0.02 0.10 0.79 0.03 0.00 0.00 0.00 178.15 179.08 2ky4 h ARG 101 N -0.73 0.21 -0.43 2.37 3.08 -1.41 0.31 114.38 117.77 2ky4 h ARG 101 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2ky4 h ARG 101 Cb 0.49 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2ky4 h ARG 101 CO 0.07 0.14 0.24 -0.22 -1.07 0.00 0.00 179.97 179.13 2ky4 h LYS 102 N 0.21 0.60 0.08 0.04 3.64 -1.12 -1.69 116.57 118.33 2ky4 h LYS 102 Ca 0.66 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.81 2ky4 h LYS 102 Cb 2.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2ky4 h LYS 102 CO -0.26 0.48 -0.83 1.88 -2.27 0.00 0.00 179.45 178.44 2ky4 h TYR 103 N 0.56 0.29 -0.94 1.91 0.05 -1.02 -3.21 116.97 114.61 2ky4 h TYR 103 Ca 0.15 -0.21 0.28 0.00 0.05 0.00 0.00 58.73 58.99 2ky4 h TYR 103 Cb 0.05 -0.01 -0.15 0.00 1.01 0.00 0.00 36.73 37.63 2ky4 h TYR 103 CO -0.02 1.32 0.37 -0.97 -1.05 0.00 0.00 178.16 177.81 2ky4 h ASN 104 N -0.61 0.20 0.25 3.88 -1.24 -1.10 -1.09 115.58 115.88 2ky4 h ASN 104 Ca -0.18 0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 2ky4 h ASN 104 Cb 1.46 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.72 2ky4 h ASN 104 CO 0.03 -0.16 -0.24 -0.61 -1.29 0.00 0.00 177.43 175.17 2ky4 h GLN 105 N 0.25 0.00 0.01 6.67 5.75 -1.32 0.59 115.11 127.05 2ky4 h GLN 105 Ca 0.64 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.14 2ky4 h GLN 105 Cb 1.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.93 2ky4 h GLN 105 CO -0.65 0.24 -0.01 0.82 -2.65 0.00 0.00 178.83 176.58 2ky4 h ILE 106 N 0.00 0.51 -1.20 2.39 2.04 -1.24 -2.86 117.51 117.15 2ky4 h ILE 106 Ca -0.00 -1.36 0.35 0.00 1.00 0.00 0.00 64.86 64.85 2ky4 h ILE 106 Cb 0.43 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 37.37 2ky4 h ILE 106 CO 0.03 0.17 0.79 0.25 0.00 0.00 0.00 178.15 179.40 2ky4 h LEU 107 N -1.00 0.29 -0.38 1.44 5.85 -1.41 0.21 115.31 120.31 2ky4 h LEU 107 Ca -0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ky4 h LEU 107 Cb 0.29 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2ky4 h LEU 107 CO 0.00 -0.03 -0.14 0.00 -0.34 0.00 0.00 178.44 177.94 2ky4 h ALA 108 N 1.56 0.93 0.00 1.25 0.00 -0.87 -2.99 119.26 119.13 2ky4 h ALA 108 Ca 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2ky4 h ALA 108 Cb 2.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2ky4 h ALA 108 CO -0.29 0.17 -0.79 0.25 0.00 0.00 0.00 179.25 178.60 2ky4 n THR 109 N -3.16 0.00 0.03 0.00 -2.24 -0.85 -4.89 114.28 103.17 2ky4 n THR 109 Ca 0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2ky4 n THR 109 Cb 0.52 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2ky4 n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ky4 n GLN 110 N -1.43 0.00 0.00 -0.78 6.02 0.01 -5.09 117.38 116.10 2ky4 n GLN 110 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ky4 n GLN 110 Cb 0.15 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.38 2ky4 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ky4 n GLY 111 N 1.58 2.63 0.49 1.08 0.00 -1.13 -4.84 105.19 105.01 2ky4 n GLY 111 Ca 0.00 -2.11 0.40 0.00 0.00 0.00 0.00 46.02 44.31 2ky4 n GLY 111 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ky4 n ILE 112 N -1.09 -0.16 0.03 -0.61 0.13 -1.26 -1.05 119.36 115.35 2ky4 n ILE 112 Ca 0.00 1.53 -0.11 0.00 -1.10 0.00 0.00 62.75 63.07 2ky4 n ILE 112 Cb 0.00 -2.52 -0.04 0.00 -0.84 0.00 0.00 39.64 36.24 2ky4 n ILE 112 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 2ky4 h ARG 113 N 0.00 -0.35 -0.03 9.51 3.08 -1.92 -2.07 114.38 122.61 2ky4 h ARG 113 Ca 0.80 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.84 2ky4 h ARG 113 Cb 2.80 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.93 2ky4 h ARG 113 CO -0.30 -0.23 -0.12 0.00 -1.07 0.00 0.00 179.97 178.25 2ky4 h ALA 114 N 0.52 0.06 -0.08 0.04 0.00 -1.42 -2.17 119.26 116.20 2ky4 h ALA 114 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ky4 h ALA 114 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ky4 h ALA 114 CO -0.27 -0.03 0.00 0.34 0.00 0.00 0.00 179.25 179.29 2ky4 n PHE 115 N -4.64 0.00 -0.40 0.00 7.35 -1.07 -1.23 117.46 117.47 2ky4 n PHE 115 Ca -0.09 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 56.92 2ky4 n PHE 115 Cb 0.39 -0.49 0.59 0.00 0.35 0.00 0.00 39.48 40.32 2ky4 n PHE 115 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2ky4 h ILE 116 N 0.00 0.20 -0.45 -2.13 1.08 -1.52 -0.94 117.51 113.75 2ky4 h ILE 116 Ca 0.00 -0.06 -0.11 0.00 -0.39 0.00 0.00 64.86 64.31 2ky4 h ILE 116 Cb 0.00 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.76 2ky4 h ILE 116 CO 0.00 0.03 -0.15 -1.13 -0.69 0.00 0.00 178.15 176.21 2ky4 h ASN 117 N 0.17 0.86 0.16 1.72 -0.73 -1.12 -2.47 115.58 114.16 2ky4 h ASN 117 Ca 0.77 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 58.65 2ky4 h ASN 117 Cb 2.22 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.58 2ky4 h ASN 117 CO -0.46 1.01 -0.07 0.00 -0.37 0.00 0.00 177.43 177.53 2ky4 h ALA 118 N 1.07 -0.21 -0.29 1.57 0.00 0.23 -1.96 119.26 119.66 2ky4 h ALA 118 Ca 0.12 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2ky4 h ALA 118 Cb 0.67 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2ky4 h ALA 118 CO 0.05 -0.49 -0.32 -0.07 0.00 0.00 0.00 179.25 178.42 2ky4 h LEU 119 N -0.47 -1.03 -1.29 0.00 3.38 -1.49 -2.61 115.31 111.81 2ky4 h LEU 119 Ca -0.02 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2ky4 h LEU 119 Cb 0.37 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2ky4 h LEU 119 CO 0.03 -0.33 -0.29 0.58 0.09 0.00 0.00 178.44 178.53 2ky4 h VAL 120 N -0.30 0.84 -0.67 1.22 2.07 -1.44 -2.65 116.25 115.33 2ky4 h VAL 120 Ca 0.14 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2ky4 h VAL 120 Cb 0.53 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2ky4 h VAL 120 CO -0.46 0.28 0.00 0.59 0.02 0.00 0.00 177.57 178.00 2ky4 n ASN 121 N -3.67 4.56 -4.76 0.57 3.02 -0.74 -4.80 115.26 109.45 2ky4 n ASN 121 Ca -0.01 -2.34 -0.35 0.00 -0.03 0.00 0.00 54.58 51.85 2ky4 n ASN 121 Cb 0.40 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 39.05 2ky4 n ASN 121 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ky4 s SER 122 N -0.94 5.25 0.40 6.41 0.01 -0.99 -4.96 113.70 118.87 2ky4 s SER 122 Ca 0.51 2.27 0.21 0.00 1.31 0.00 0.00 55.95 60.25 2ky4 s SER 122 Cb 0.31 -2.59 0.76 0.00 0.21 0.00 0.00 66.02 64.72 2ky4 s SER 122 CO 0.27 -1.54 1.77 -0.61 0.41 0.00 0.00 173.24 173.53 2ky4 h GLN 123 N 0.77 0.00 -0.53 12.44 4.15 -1.93 -2.60 115.11 127.40 2ky4 h GLN 123 Ca -0.50 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.90 2ky4 h GLN 123 Cb 1.28 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 2ky4 h GLN 123 CO 0.55 0.31 0.23 0.93 -1.93 0.00 0.00 178.83 178.92 2ky4 h GLU 124 N 0.00 0.76 -0.51 1.69 5.08 -1.94 -1.46 114.58 118.20 2ky4 h GLU 124 Ca -0.00 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2ky4 h GLU 124 Cb 0.84 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2ky4 h GLU 124 CO 0.04 0.62 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.59 2ky4 h TYR 125 N 0.76 1.13 -0.39 4.33 5.03 -1.77 -3.24 116.97 122.82 2ky4 h TYR 125 Ca 0.18 -0.25 -0.13 0.00 2.58 0.00 0.00 58.73 61.11 2ky4 h TYR 125 Cb 0.13 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 2ky4 h TYR 125 CO 0.01 1.07 -0.29 -2.95 -1.32 0.00 0.00 178.16 174.69 2ky4 h ASN 126 N 0.86 0.87 0.67 -2.11 7.08 -1.21 -2.75 115.58 118.99 2ky4 h ASN 126 Ca 0.12 -0.35 -0.03 0.00 -3.08 0.00 0.00 56.30 52.96 2ky4 h ASN 126 Cb 0.73 -0.24 0.01 0.00 -2.08 0.00 0.00 38.32 36.74 2ky4 h ASN 126 CO 0.06 1.09 -0.32 -0.33 -2.08 0.00 0.00 177.43 175.85 2ky4 h GLU 127 N 0.71 -0.87 -0.22 4.14 4.39 -1.44 -1.86 114.58 119.43 2ky4 h GLU 127 Ca 0.08 0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 2ky4 h GLU 127 Cb 0.83 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2ky4 h GLU 127 CO 0.07 -0.57 -0.45 0.28 -1.16 0.00 0.00 179.01 177.19 2ky4 h VAL 128 N -0.95 1.31 0.00 3.13 2.07 -1.57 -3.34 116.25 116.90 2ky4 h VAL 128 Ca -0.09 -1.64 -0.17 0.00 0.82 0.00 0.00 66.70 65.62 2ky4 h VAL 128 Cb 0.70 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2ky4 h VAL 128 CO 0.15 0.51 -1.61 0.49 0.02 0.00 0.00 177.57 177.13 2ky4 n PHE 129 N -4.01 0.00 0.00 1.57 3.72 -1.04 -5.07 117.46 112.63 2ky4 n PHE 129 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2ky4 n PHE 129 Cb 0.54 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2ky4 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ky4 n GLY 130 N 2.62 1.09 0.00 1.37 0.00 -0.70 -4.53 105.19 105.05 2ky4 n GLY 130 Ca -0.20 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2ky4 n GLY 130 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ky4 n GLU 131 N 0.00 0.00 -0.42 1.61 0.28 -1.26 -4.35 120.64 116.49 2ky4 n GLU 131 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 2ky4 n GLU 131 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 2ky4 n GLU 131 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ky4 n ASP 132 N -0.31 4.74 -3.79 -1.84 8.00 -1.26 -0.62 116.55 121.46 2ky4 n ASP 132 Ca 0.00 -2.41 -0.13 0.00 0.71 0.00 0.00 54.79 52.97 2ky4 n ASP 132 Cb 0.00 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.07 2ky4 n ASP 132 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ky4 s THR 133 N -0.39 0.04 0.13 -3.53 2.01 -1.26 -1.63 115.64 111.01 2ky4 s THR 133 Ca 0.06 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2ky4 s THR 133 Cb 0.04 -0.47 -0.07 0.00 0.01 0.00 0.00 72.50 72.02 2ky4 s THR 133 CO 0.00 -0.17 1.21 -0.69 -0.69 0.00 0.00 174.62 174.28 2ky4 s VAL 134 N -0.67 3.73 -1.07 3.82 1.01 -0.63 -4.39 120.40 122.20 2ky4 s VAL 134 Ca -0.08 1.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 2ky4 s VAL 134 Cb -0.04 -3.86 -0.20 0.00 0.00 0.00 0.00 36.38 32.28 2ky4 s VAL 134 CO 0.02 0.17 2.12 -2.16 0.00 0.00 0.00 175.10 175.24 2ky4 s PRO 135 N 0.34 1.42 0.54 2.72 0.04 -1.26 -4.88 135.00 133.91 2ky4 s PRO 135 Ca 0.56 -0.44 -0.22 0.00 0.04 0.00 0.00 61.00 60.94 2ky4 s PRO 135 Cb -0.32 -5.00 -0.05 0.00 0.04 0.00 0.00 34.50 29.17 2ky4 s PRO 135 CO 0.33 -5.17 1.37 2.48 0.04 0.00 0.00 177.00 176.06 2ky4 n TYR 136 N 18.80 2.36 -2.17 0.56 0.18 -1.26 -4.70 117.16 130.92 2ky4 n TYR 136 Ca 0.42 0.43 -0.43 0.00 1.88 0.00 0.00 57.90 60.21 2ky4 n TYR 136 Cb 0.46 -2.38 -0.02 0.00 -0.38 0.00 0.00 39.34 37.02 2ky4 n TYR 136 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2ky4 s ARG 137 N -2.84 4.05 0.50 -3.48 3.52 -1.26 -4.87 118.95 114.57 2ky4 s ARG 137 Ca 0.70 1.83 0.33 0.00 -0.13 0.00 0.00 55.73 58.46 2ky4 s ARG 137 Cb -0.42 -3.94 1.60 0.00 -1.56 0.00 0.00 34.95 30.63 2ky4 s ARG 137 CO 0.50 -0.97 2.00 0.00 -0.81 0.00 0.00 175.30 176.02 2ky4 h ARG 138 N 9.57 0.00 -6.21 5.12 -0.00 -1.91 -3.43 114.38 117.51 2ky4 h ARG 138 Ca -0.33 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.51 2ky4 h ARG 138 Cb 1.15 0.00 -0.30 0.00 0.00 0.00 0.00 29.97 30.82 2ky4 h ARG 138 CO 0.98 0.00 -0.87 -0.06 0.00 0.00 0.00 179.97 180.02 2ky4 s PHE 139 N -3.73 2.01 0.51 3.04 0.08 -1.26 -5.04 117.98 113.58 2ky4 s PHE 139 Ca -0.01 -0.38 0.30 0.00 0.12 0.00 0.00 56.93 56.97 2ky4 s PHE 139 Cb 0.10 -1.29 1.43 0.00 -0.57 0.00 0.00 43.02 42.69 2ky4 s PHE 139 CO 0.42 -0.03 1.85 -1.35 -0.10 0.00 0.00 175.22 176.01 2ky4 h PRO 140 N 5.56 0.08 -3.28 0.24 0.11 -2.04 -3.40 132.00 129.26 2ky4 h PRO 140 Ca -0.40 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 2ky4 h PRO 140 Cb 1.13 -0.02 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 2ky4 h PRO 140 CO 0.47 0.05 -0.48 -0.08 -0.21 0.00 0.00 178.00 177.75 2ky4 s THR 141 N -5.06 0.01 -0.00 -1.15 -1.32 -1.26 -5.17 115.64 101.68 2ky4 s THR 141 Ca -0.06 -0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.38 2ky4 s THR 141 Cb 0.22 -0.30 -0.01 0.00 -1.51 0.00 0.00 72.50 70.90 2ky4 s THR 141 CO 0.79 -0.05 -0.14 -0.76 -2.21 0.00 0.00 174.62 172.25 2ky4 s LEU 142 N -0.08 2.04 -0.75 9.08 1.43 -1.26 -5.10 118.68 124.05 2ky4 s LEU 142 Ca -0.02 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 2ky4 s LEU 142 Cb -0.02 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2ky4 s LEU 142 CO 0.00 0.15 1.92 -1.61 0.23 0.00 0.00 176.35 177.05 2ky4 s GLU 143 N -0.41 2.56 -0.20 1.70 2.02 -1.26 -4.90 118.70 118.21 2ky4 s GLU 143 Ca 0.05 0.21 -0.10 0.00 0.02 0.00 0.00 54.97 55.15 2ky4 s GLU 143 Cb -0.06 -4.71 0.07 0.00 0.10 0.00 0.00 34.13 29.54 2ky4 s GLU 143 CO -0.00 -3.07 0.47 -3.38 0.02 0.00 0.00 175.26 169.29 2ky4 s HIS 144 N 9.72 -0.75 1.07 1.61 -3.43 -1.26 -5.09 115.29 117.17 2ky4 s HIS 144 Ca 0.70 1.52 -0.15 0.00 -0.80 0.00 0.00 55.06 56.32 2ky4 s HIS 144 Cb -0.10 0.36 0.22 0.00 -1.43 0.00 0.00 32.58 31.63 2ky4 s HIS 144 CO 0.11 -0.41 1.10 -3.38 -2.00 0.00 0.00 174.74 170.16 2ky4 s HIS 145 N 1.73 1.55 0.09 0.38 -3.43 -1.26 -5.09 115.29 109.26 2ky4 s HIS 145 Ca -0.08 0.79 0.01 0.00 -0.80 0.00 0.00 55.06 54.98 2ky4 s HIS 145 Cb -0.09 -3.35 -0.04 0.00 -1.43 0.00 0.00 32.58 27.67 2ky4 s HIS 145 CO -0.14 -3.25 0.21 -1.01 -2.00 0.00 0.00 174.74 168.55 2ky4 s HIS 146 N -3.01 3.45 -0.10 0.38 3.76 -1.26 -5.04 115.29 113.48 2ky4 s HIS 146 Ca 0.67 0.18 0.15 0.00 -0.15 0.00 0.00 55.06 55.91 2ky4 s HIS 146 Cb -0.15 -1.71 -0.10 0.00 1.11 0.00 0.00 32.58 31.73 2ky4 s HIS 146 CO 0.57 0.56 1.03 0.45 -0.85 0.00 0.00 174.74 176.50 2ky4 h HIS 147 N 2.83 0.00 0.00 1.40 3.86 -1.97 -3.48 115.15 117.79 2ky4 h HIS 147 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2ky4 h HIS 147 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ky4 h HIS 147 CO 0.59 0.64 0.00 0.72 0.86 0.00 0.00 177.93 180.74 2ky4 n HIS 148 N -3.05 0.00 0.84 2.45 8.25 -1.26 -5.18 115.22 117.28 2ky4 n HIS 148 Ca -0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.47 2ky4 n HIS 148 Cb 0.84 0.00 0.40 0.00 1.12 0.00 0.00 29.99 32.35 2ky4 n HIS 148 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56